Dear all,
I noticed a problem with compounds containing Sulfur hexafluoride and
similar groups. Gasteiger charges are contain "-nan" for all atoms.
Here is an example:
In [23]: s = 'c1ccc(cc1)S(F)(F)(F)(F)F'
In [24]: AllChem.ComputeGasteigerCharges(mol)
In [25]: mol.GetAtomWithIdx(0).GetProp("_GasteigerCharge")
Out[25]: '-nan'
Best,
Michael
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